cycloundecylmethanol

• ChemBase ID: 137411
• Molecular Formular: C12H24O
• Molecular Mass: 184.31836
• Monoisotopic Mass: 184.18271539
• SMILES: C1CCCCCC(CCCC1)CO
• Canonical SMILES: OCC1CCCCCCCCCC1
• InChI: InChI=1S/C12H24O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h12-13H,1-11H2
• InChIKey: XSFJMMWTLXMXTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloundecylmethanol
• IUPAC Traditional name: cycloundecylmethanol
• Synonyms: Cycloundecanemethanol; 环十一烷甲醇

Database IDs

• CAS Number: 29518-02-3
• MDL Number: MFCD00003714
• PubChem SID: 162231674
• PubChem CID: 122404

CALCULATED PROPERTIES

• Acid pKa: 17.681559
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8185494
• LogD (pH = 7.4): 3.8185496
• Log P: 3.8185496
• Molar Refractivity: 57.0113 cm^3
• Polarizability: 22.737331 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 80%
• Grade: technical grade
• Empirical Formula (Hill Notation): C12H24O